Basic information
- CAS
63978-90-5- Standard SMILES
C[NH2+]C1CC[C@@](C#N)(c2ccccc2)c2ccccc21.[Cl-]- InChIKey
LBNGBAZFYRPPDY-MVFUPKDGSA-N- Molecular formula
- C18H19ClN2
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.1236763
Names & identifiers
- Preferred name
- 1-Naphthonitrile, 1,2,3,4-tetrahydro-4-methylamino-1-phenyl-, hydrochloride, (E)-
- IUPAC
- [(4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-methylazanium chloride
Names & synonyms
1-Naphthonitrile, 1,2,3,4-tetrahydro-4-methylamino-1-phenyl-, hydrochloride, (E)-63978-90-5RefChem:1056056trans-1,2,3,4-Tetrahydro-4-cyano-1-methylamino-4-phenylnaphthalene hydrochloride1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4-(methylamino)-1-phenyl-, hydrochloride, (E)-
Database identifiers
- CAS
63978-90-5- PubChem CID
- 45866
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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